ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine

C17H36N2O2 — CID 177178993

IUPACethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
SMILESCC.CCOCCN1CCC2CN(CCOC)CCC2C1
InChIInChI=1S/C15H30N2O2.C2H6/c1-3-19-11-9-17-7-5-14-12-16(8-10-18-2)6-4-15(14)13-17;1-2/h14-15H,3-13H2,1-2H3;1-2H3
InChIKeyKZQRSTQVZPOLMG-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.34
Rot. Bonds7

About ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine

ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine (PubChem CID 177178993) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine.

Molecular Properties

Compound Nameethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
PubChem CID177178993
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Nameethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
SMILESCC.CCOCCN1CCC2CN(CCOC)CCC2C1
InChIInChI=1S/C15H30N2O2.C2H6/c1-3-19-11-9-17-7-5-14-12-16(8-10-18-2)6-4-15(14)13-17;1-2/h14-15H,3-13H2,1-2H3;1-2H3
InChIKeyKZQRSTQVZPOLMG-UHFFFAOYSA-N
XLogP2.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4aR,8aR)-2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178896
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490383
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
CID 42392613
6-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 104563880
1-(2-methoxyethyl)-4-[[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
CID 42392615
5-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 168927354
1-(2-ethoxyethyl)-3-fluoropiperidine
CID 177032761
1-(2-ethoxyethyl)-N-propylpyrrolidin-3-amine
CID 43591122
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
CID 103182790
1-(3-ethoxypropyl)-4-methylpiperidin-3-amine
CID 65180830

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine?
The IUPAC name of ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine (CID 177178993) is ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine.
What is the SMILES notation for ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine?
The canonical SMILES for ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine is CC.CCOCCN1CCC2CN(CCOC)CCC2C1.
What is the InChIKey of ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine?
The InChIKey is KZQRSTQVZPOLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.C2H6/c1-3-19-11-9-17-7-5-14-12-16(8-10-18-2)6-4-15(14)13-17;1-2/h14-15H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine?
ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine has a molecular weight of 300.49 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine is sourced from PubChem (CID 177178993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).